N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-(3-methyl-1,2-thiazol-5-yl)isoquinolin-8-amine;6-[3-[(dimethylamino)methyl]phenyl]-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-[3-[(dimethylamino)methyl]phenyl]-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-[5-[(dimethylamino)methyl]thiophen-3-yl]-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine;N-(1-methylsulfonylpiperidin-4-yl)-6-(3-methyl-1,2-thiazol-5-yl)isoquinolin-8-amine

C112H138N20O10S8 — CID 157094066

IUPACN-(1-cyclopropylsulfonylpiperidin-4-yl)-6-(3-methyl-1,2-thiazol-5-yl)isoquinolin-8-amine;6-[3-[(dimethylamino)methyl]phenyl]-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-[3-[(dimethylamino)methyl]phenyl]-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-[5-[(dimethylamino)methyl]thiophen-3-yl]-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine;N-(1-methylsulfonylpiperidin-4-yl)-6-(3-methyl-1,2-thiazol-5-yl)isoquinolin-8-amine
SMILESCCS(=O)(=O)N1CCC(Nc2cc(-c3cccc(CN(C)C)c3)cc3ccncc23)CC1.CCS(=O)(=O)N1CCC(Nc2cc(-c3csc(CN(C)C)c3)cc3ccncc23)CC1.CN(C)Cc1cccc(-c2cc(NC3CCN(S(C)(=O)=O)CC3)c3cnccc3c2)c1.Cc1cc(-c2cc(NC3CCN(S(=O)(=O)C4CC4)CC3)c3cnccc3c2)sn1.Cc1cc(-c2cc(NC3CCN(S(C)(=O)=O)CC3)c3cnccc3c2)sn1
InChIInChI=1S/C25H32N4O2S.C24H30N4O2S.C23H30N4O2S2.C21H24N4O2S2.C19H22N4O2S2/c1-4-32(30,31)29-12-9-23(10-13-29)27-25-16-22(15-21-8-11-26-17-24(21)25)20-7-5-6-19(14-20)18-28(2)3;1-27(2)17-18-5-4-6-19(13-18)21-14-20-7-10-25-16-23(20)24(15-21)26-22-8-11-28(12-9-22)31(3,29)30;1-4-31(28,29)27-9-6-20(7-10-27)25-23-13-18(11-17-5-8-24-14-22(17)23)19-12-21(30-16-19)15-26(2)3;1-14-10-21(28-24-14)16-11-15-4-7-22-13-19(15)20(12-16)23-17-5-8-25(9-6-17)29(26,27)18-2-3-18;1-13-9-19(26-22-13)15-10-14-3-6-20-12-17(14)18(11-15)21-16-4-7-23(8-5-16)27(2,24)25/h5-8,11,14-17,23,27H,4,9-10,12-13,18H2,1-3H3;4-7,10,13-16,22,26H,8-9,11-12,17H2,1-3H3;5,8,11-14,16,20,25H,4,6-7,9-10,15H2,1-3H3;4,7,10-13,17-18,23H,2-3,5-6,8-9H2,1H3;3,6,9-12,16,21H,4-5,7-8H2,1-2H3
InChIKeyAEZQQWWVUIGWAQ-UHFFFAOYSA-N
MW2181.00 g/mol
LogP19.78
Rot. Bonds29

About N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-(3-methyl-1,2-thiazol-5-yl)isoquinolin-8-amine;6-[3-[(dimethylamino)methyl]phenyl]-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-[3-[(dimethylamino)methyl]phenyl]-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-[5-[(dimethylamino)methyl]thiophen-3-yl]-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine;N-(1-methylsulfonylpiperidin-4-yl)-6-(3-methyl-1,2-thiazol-5-yl)isoquinolin-8-amine

N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-(3-methyl-1,2-thiazol-5-yl)isoquinolin-8-amine;6-[3-[(dimethylamino)methyl]phenyl]-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-[3-[(dimethylamino)methyl]phenyl]-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-[5-[(dimethylamino)methyl]thiophen-3-yl]-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine;N-(1-methylsulfonylpiperidin-4-yl)-6-(3-methyl-1,2-thiazol-5-yl)isoquinolin-8-amine (PubChem CID 157094066) has the molecular formula C112H138N20O10S8 and a molecular weight of 2181.00 g/mol. Its IUPAC name is N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-(3-methyl-1,2-thiazol-5-yl)isoquinolin-8-amine;6-[3-[(dimethylamino)methyl]phenyl]-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-[3-[(dimethylamino)methyl]phenyl]-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-[5-[(dimethylamino)methyl]thiophen-3-yl]-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine;N-(1-methylsulfonylpiperidin-4-yl)-6-(3-methyl-1,2-thiazol-5-yl)isoquinolin-8-amine.

Molecular Properties

Compound NameN-(1-cyclopropylsulfonylpiperidin-4-yl)-6-(3-methyl-1,2-thiazol-5-yl)isoquinolin-8-amine;6-[3-[(dimethylamino)methyl]phenyl]-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-[3-[(dimethylamino)methyl]phenyl]-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-[5-[(dimethylamino)methyl]thiophen-3-yl]-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine;N-(1-methylsulfonylpiperidin-4-yl)-6-(3-methyl-1,2-thiazol-5-yl)isoquinolin-8-amine
PubChem CID157094066
Molecular FormulaC112H138N20O10S8
Molecular Weight2181.00 g/mol
Exact Mass2178.87
IUPAC NameN-(1-cyclopropylsulfonylpiperidin-4-yl)-6-(3-methyl-1,2-thiazol-5-yl)isoquinolin-8-amine;6-[3-[(dimethylamino)methyl]phenyl]-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-[3-[(dimethylamino)methyl]phenyl]-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-[5-[(dimethylamino)methyl]thiophen-3-yl]-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine;N-(1-methylsulfonylpiperidin-4-yl)-6-(3-methyl-1,2-thiazol-5-yl)isoquinolin-8-amine
SMILESCCS(=O)(=O)N1CCC(Nc2cc(-c3cccc(CN(C)C)c3)cc3ccncc23)CC1.CCS(=O)(=O)N1CCC(Nc2cc(-c3csc(CN(C)C)c3)cc3ccncc23)CC1.CN(C)Cc1cccc(-c2cc(NC3CCN(S(C)(=O)=O)CC3)c3cnccc3c2)c1.Cc1cc(-c2cc(NC3CCN(S(=O)(=O)C4CC4)CC3)c3cnccc3c2)sn1.Cc1cc(-c2cc(NC3CCN(S(C)(=O)=O)CC3)c3cnccc3c2)sn1
InChIInChI=1S/C25H32N4O2S.C24H30N4O2S.C23H30N4O2S2.C21H24N4O2S2.C19H22N4O2S2/c1-4-32(30,31)29-12-9-23(10-13-29)27-25-16-22(15-21-8-11-26-17-24(21)25)20-7-5-6-19(14-20)18-28(2)3;1-27(2)17-18-5-4-6-19(13-18)21-14-20-7-10-25-16-23(20)24(15-21)26-22-8-11-28(12-9-22)31(3,29)30;1-4-31(28,29)27-9-6-20(7-10-27)25-23-13-18(11-17-5-8-24-14-22(17)23)19-12-21(30-16-19)15-26(2)3;1-14-10-21(28-24-14)16-11-15-4-7-22-13-19(15)20(12-16)23-17-5-8-25(9-6-17)29(26,27)18-2-3-18;1-13-9-19(26-22-13)15-10-14-3-6-20-12-17(14)18(11-15)21-16-4-7-23(8-5-16)27(2,24)25/h5-8,11,14-17,23,27H,4,9-10,12-13,18H2,1-3H3;4-7,10,13-16,22,26H,8-9,11-12,17H2,1-3H3;5,8,11-14,16,20,25H,4,6-7,9-10,15H2,1-3H3;4,7,10-13,17-18,23H,2-3,5-6,8-9H2,1H3;3,6,9-12,16,21H,4-5,7-8H2,1-2H3
InChIKeyAEZQQWWVUIGWAQ-UHFFFAOYSA-N
XLogP19.78
TPSA347.00 Ų
H-Bond Donors5
H-Bond Acceptors28
Rotatable Bonds29
Heavy Atoms150
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002181.00
LogP ≤ 519.78
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1028

Analyze N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-(3-methyl-1,2-thiazol-5-yl)isoquinolin-8-amine;6-[3-[(dimethylamino)methyl]phenyl]-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-[3-[(dimethylamino)methyl]phenyl]-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-[5-[(dimethylamino)methyl]thiophen-3-yl]-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine;N-(1-methylsulfonylpiperidin-4-yl)-6-(3-methyl-1,2-thiazol-5-yl)isoquinolin-8-amine with MolForge

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Related Compounds

N-(1-cyclohexylsulfonylpiperidin-4-yl)-6-(2,6-dimethyl-4-pyridinyl)isoquinolin-8-amine;N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-[5-(difluoromethyl)-3-pyridinyl]isoquinolin-8-amine;N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-[5-(fluoromethyl)-3-pyridinyl]isoquinolin-8-amine;6-(2-methyl-4-pyridinyl)-N-[1-(2,2,2-trifluoroethylsulfonyl)piperidin-4-yl]isoquinolin-8-amine;6-(6-methyl-3-pyridinyl)-N-[1-(2,2,2-trifluoroethylsulfonyl)piperidin-4-yl]isoquinolin-8-amine
CID 157253647
N,N-dimethyl-4-[8-[(1-methylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzenesulfonamide;6-(2,6-dimethyl-4-pyridinyl)-N-[1-(2,2,2-trifluoroethylsulfonyl)piperidin-4-yl]isoquinolin-8-amine;6-(4-ethylsulfonylphenyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(2-methyl-4-pyridinyl)-N-(1-propan-2-ylsulfonylpiperidin-4-yl)isoquinolin-8-amine
CID 158809802
6-[3-(cyclobutylamino)phenyl]-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-[6-(ethylamino)-3-pyridinyl]-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-(5-methylthiophen-2-yl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-(5-methylthiophen-3-yl)isoquinolin-8-amine;N-(1-methylsulfonylpiperidin-4-yl)-6-[5-(trifluoromethyl)-3-pyridinyl]isoquinolin-8-amine
CID 159808748
N-(1-cyclohexylsulfonylpiperidin-4-yl)-6-(2,6-dimethyl-4-pyridinyl)isoquinolin-8-amine;N-(1-cyclopentylsulfonylpiperidin-4-yl)-6-(2,6-dimethyl-4-pyridinyl)isoquinolin-8-amine;N-(1-cyclopentylsulfonylpiperidin-4-yl)-6-(6-methyl-3-pyridinyl)isoquinolin-8-amine;6-(2-methyl-4-pyridinyl)-N-[1-(2,2,2-trifluoroethylsulfonyl)piperidin-4-yl]isoquinolin-8-amine;6-(6-methyl-3-pyridinyl)-N-[1-(2,2,2-trifluoroethylsulfonyl)piperidin-4-yl]isoquinolin-8-amine
CID 162077843
argon;1,2-dihydrothieno[3,2-f]quinolin-9-amine;2,3-dihydrothieno[2,3-f]quinolin-9-amine;3,3-dioxo-1,2-dihydro-[1,2]thiazolo[4,5-f]quinolin-9-amine;1,1-dioxo-2,3-dihydrothieno[2,3-f]quinolin-9-amine;3,3-dioxo-1,2-dihydrothieno[3,2-f]quinolin-9-amine;3,3-dioxo-[1,2]thiazolo[4,5-f]quinolin-9-amine;1,1-dioxothieno[2,3-f]quinolin-9-amine;3,3-dioxothieno[3,2-f]quinolin-9-amine;6H-imidazo[4,5-f]quinolin-9-amine;1-imino-1-oxo-2,3-dihydrothieno[2,3-f]quinolin-9-amine;1-imino-1-oxothieno[2,3-f]quinolin-9-amine;3-imino-3-oxothieno[3,2-f]quinolin-9-amine;1-oxo-2,3-dihydrothieno[2,3-f]quinolin-9-amine;3-oxo-1,2-dihydrothieno[3,2-f]quinolin-9-amine;1-oxothieno[2,3-f]quinolin-9-amine;3-oxothieno[3,2-f]quinolin-9-amine;thieno[2,3-f]quinolin-9-amine;thieno[3,2-f]quinolin-9-amine
CID 157195201
N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-[2-(difluoromethyl)-4-pyridinyl]isoquinolin-8-amine;N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-[6-(difluoromethyl)-3-pyridinyl]isoquinolin-8-amine;N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-[2-(fluoromethyl)-4-pyridinyl]isoquinolin-8-amine;N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-[6-(fluoromethyl)-3-pyridinyl]isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-[2-(fluoromethyl)-4-pyridinyl]isoquinolin-8-amine
CID 157294221
N-(1-cyclohexylsulfonylpiperidin-4-yl)-6-(2-methyl-4-pyridinyl)isoquinolin-8-amine;N-(1-cyclopentylsulfonylpiperidin-4-yl)-6-(2-methyl-4-pyridinyl)isoquinolin-8-amine;N-(1-cyclopentylsulfonylpiperidin-4-yl)-6-(6-methyl-3-pyridinyl)isoquinolin-8-amine;6-(2,6-dimethyl-4-pyridinyl)-N-(1-propan-2-ylsulfonylpiperidin-4-yl)isoquinolin-8-amine
CID 157526495
N-(1-cyclopentylsulfonylpiperidin-4-yl)-6-(6-methyl-3-pyridinyl)isoquinolin-8-amine;N,N-dimethyl-4-[8-[(1-methylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzenesulfonamide;6-(2,6-dimethyl-4-pyridinyl)-N-(1-propan-2-ylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(4-ethylsulfonylphenyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(2-methyl-4-pyridinyl)-N-(1-propan-2-ylsulfonylpiperidin-4-yl)isoquinolin-8-amine
CID 157675616
N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-(6-fluoro-2-pyridinyl)isoquinolin-8-amine;N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-(6-methyl-2-pyridinyl)isoquinolin-8-amine;6-(6-methyl-3-pyridinyl)-N-(1-propylsulfonylpiperidin-4-yl)isoquinolin-8-amine;N-(1-methylsulfonylpiperidin-4-yl)-6-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-amine;N-(1-methylsulfonylpiperidin-4-yl)-6-(4-methyl-1,3-thiazol-2-yl)isoquinolin-8-amine
CID 158018343
N-(1-butylsulfonylpiperidin-4-yl)-6-(2-methyl-4-pyridinyl)isoquinolin-8-amine;6-(2,6-dimethyl-4-pyridinyl)-N-(1-propylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(2-methyl-4-pyridinyl)-N-(1-propylsulfonylpiperidin-4-yl)isoquinolin-8-amine
CID 158124651
6-(1-amino-3-ethyliminoprop-1-en-2-yl)-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(5-chloro-3-pyridinyl)-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-[4-methanimidoyl-3-(methylamino)phenyl]isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-(2-methoxy-1,3-thiazol-5-yl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-(6-methyl-3-pyridinyl)isoquinolin-8-amine
CID 158143947
6-(5-ethyl-3-pyridinyl)-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(6-ethyl-3-pyridinyl)-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(5-ethyl-3-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(6-ethyl-3-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;3-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]-5-methylbenzonitrile
CID 158305494

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-(3-methyl-1,2-thiazol-5-yl)isoquinolin-8-amine;6-[3-[(dimethylamino)methyl]phenyl]-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-[3-[(dimethylamino)methyl]phenyl]-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-[5-[(dimethylamino)methyl]thiophen-3-yl]-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine;N-(1-methylsulfonylpiperidin-4-yl)-6-(3-methyl-1,2-thiazol-5-yl)isoquinolin-8-amine?
The IUPAC name of N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-(3-methyl-1,2-thiazol-5-yl)isoquinolin-8-amine;6-[3-[(dimethylamino)methyl]phenyl]-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-[3-[(dimethylamino)methyl]phenyl]-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-[5-[(dimethylamino)methyl]thiophen-3-yl]-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine;N-(1-methylsulfonylpiperidin-4-yl)-6-(3-methyl-1,2-thiazol-5-yl)isoquinolin-8-amine (CID 157094066) is N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-(3-methyl-1,2-thiazol-5-yl)isoquinolin-8-amine;6-[3-[(dimethylamino)methyl]phenyl]-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-[3-[(dimethylamino)methyl]phenyl]-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-[5-[(dimethylamino)methyl]thiophen-3-yl]-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine;N-(1-methylsulfonylpiperidin-4-yl)-6-(3-methyl-1,2-thiazol-5-yl)isoquinolin-8-amine.
What is the SMILES notation for N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-(3-methyl-1,2-thiazol-5-yl)isoquinolin-8-amine;6-[3-[(dimethylamino)methyl]phenyl]-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-[3-[(dimethylamino)methyl]phenyl]-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-[5-[(dimethylamino)methyl]thiophen-3-yl]-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine;N-(1-methylsulfonylpiperidin-4-yl)-6-(3-methyl-1,2-thiazol-5-yl)isoquinolin-8-amine?
The canonical SMILES for N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-(3-methyl-1,2-thiazol-5-yl)isoquinolin-8-amine;6-[3-[(dimethylamino)methyl]phenyl]-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-[3-[(dimethylamino)methyl]phenyl]-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-[5-[(dimethylamino)methyl]thiophen-3-yl]-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine;N-(1-methylsulfonylpiperidin-4-yl)-6-(3-methyl-1,2-thiazol-5-yl)isoquinolin-8-amine is CCS(=O)(=O)N1CCC(Nc2cc(-c3cccc(CN(C)C)c3)cc3ccncc23)CC1.CCS(=O)(=O)N1CCC(Nc2cc(-c3csc(CN(C)C)c3)cc3ccncc23)CC1.CN(C)Cc1cccc(-c2cc(NC3CCN(S(C)(=O)=O)CC3)c3cnccc3c2)c1.Cc1cc(-c2cc(NC3CCN(S(=O)(=O)C4CC4)CC3)c3cnccc3c2)sn1.Cc1cc(-c2cc(NC3CCN(S(C)(=O)=O)CC3)c3cnccc3c2)sn1.
What is the InChIKey of N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-(3-methyl-1,2-thiazol-5-yl)isoquinolin-8-amine;6-[3-[(dimethylamino)methyl]phenyl]-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-[3-[(dimethylamino)methyl]phenyl]-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-[5-[(dimethylamino)methyl]thiophen-3-yl]-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine;N-(1-methylsulfonylpiperidin-4-yl)-6-(3-methyl-1,2-thiazol-5-yl)isoquinolin-8-amine?
The InChIKey is AEZQQWWVUIGWAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O2S.C24H30N4O2S.C23H30N4O2S2.C21H24N4O2S2.C19H22N4O2S2/c1-4-32(30,31)29-12-9-23(10-13-29)27-25-16-22(15-21-8-11-26-17-24(21)25)20-7-5-6-19(14-20)18-28(2)3;1-27(2)17-18-5-4-6-19(13-18)21-14-20-7-10-25-16-23(20)24(15-21)26-22-8-11-28(12-9-22)31(3,29)30;1-4-31(28,29)27-9-6-20(7-10-27)25-23-13-18(11-17-5-8-24-14-22(17)23)19-12-21(30-16-19)15-26(2)3;1-14-10-21(28-24-14)16-11-15-4-7-22-13-19(15)20(12-16)23-17-5-8-25(9-6-17)29(26,27)18-2-3-18;1-13-9-19(26-22-13)15-10-14-3-6-20-12-17(14)18(11-15)21-16-4-7-23(8-5-16)27(2,24)25/h5-8,11,14-17,23,27H,4,9-10,12-13,18H2,1-3H3;4-7,10,13-16,22,26H,8-9,11-12,17H2,1-3H3;5,8,11-14,16,20,25H,4,6-7,9-10,15H2,1-3H3;4,7,10-13,17-18,23H,2-3,5-6,8-9H2,1H3;3,6,9-12,16,21H,4-5,7-8H2,1-2H3.
What are the key properties of N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-(3-methyl-1,2-thiazol-5-yl)isoquinolin-8-amine;6-[3-[(dimethylamino)methyl]phenyl]-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-[3-[(dimethylamino)methyl]phenyl]-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-[5-[(dimethylamino)methyl]thiophen-3-yl]-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine;N-(1-methylsulfonylpiperidin-4-yl)-6-(3-methyl-1,2-thiazol-5-yl)isoquinolin-8-amine?
N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-(3-methyl-1,2-thiazol-5-yl)isoquinolin-8-amine;6-[3-[(dimethylamino)methyl]phenyl]-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-[3-[(dimethylamino)methyl]phenyl]-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-[5-[(dimethylamino)methyl]thiophen-3-yl]-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine;N-(1-methylsulfonylpiperidin-4-yl)-6-(3-methyl-1,2-thiazol-5-yl)isoquinolin-8-amine has a molecular weight of 2181.00 g/mol, XLogP of 19.78, 29 rotatable bonds, 5 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylsulfonylpiperidin-4-yl)-6-(3-methyl-1,2-thiazol-5-yl)isoquinolin-8-amine;6-[3-[(dimethylamino)methyl]phenyl]-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-[3-[(dimethylamino)methyl]phenyl]-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-[5-[(dimethylamino)methyl]thiophen-3-yl]-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine;N-(1-methylsulfonylpiperidin-4-yl)-6-(3-methyl-1,2-thiazol-5-yl)isoquinolin-8-amine is sourced from PubChem (CID 157094066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).